Acetone → Hydrochloric Acid

HRID 117769

Reaction equation

HRID 117769 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][N:13]([CH:16]([CH3:17])[CH3:18])[CH2:14][CH2:15]2)[cH:8][cH:9]1)=[O:19].[CH3:20][C:21](=[O:22])[CH3:23].[ClH:24]>>[ClH:24].[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][N:13]([CH:16]([CH3:17])[CH3:18])[CH2:14][CH2:15]2)[cH:8][cH:9]1)[OH:19]

Participants

5

Reactant 3

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 69129778Methyl 4-(4-propan-2-yl-piperazin-1-yl)benzoate

Product 2

HCID 313Hydrochloric AcidHCID 47416834-(4-Isopropylpiperazin-1-yl)benzoic acid

Sources & evidence

ORD record
ord-894ccc4c6db74eb2a46732f6bb65bbc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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